Ligand name: 5'-({[(2R,3R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-{[oxido(oxo)phosphonio]oxy}butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentyl]sulfonyl}amino)-5'-deoxyadenosine
PDB ligand accession: DG9
DrugBank: n/a
PubChem: 56951870
ChEMBL: n/a
InChI Key: LAWRAYXGFUHBCH-AWSFPXBRSA-N
SMILES: CC(C)C(C(CS(=O)(=O)NCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: 5'-deoxyribonucleosides
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q9I4B7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4DG9	Download	Experimental	e4dg9A1 e4dg9A2 e4dg9A5 e4dg9A6	Alpha-lytic protease prodomain-like beta-barrel domain in acetyl-CoA synthetase-like proteins ACP-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins	LigPlot